5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole

C19H20N6S — CID 95125155

IUPAC5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole
SMILESCCn1ncnc1[C@@H](C)n1cnc(-c2ccccc2)c1-c1cnc(C)s1
InChIInChI=1S/C19H20N6S/c1-4-25-19(21-11-23-25)13(2)24-12-22-17(15-8-6-5-7-9-15)18(24)16-10-20-14(3)26-16/h5-13H,4H2,1-3H3/t13-/m1/s1
InChIKeyLSFUXYIEMQSNRK-CYBMUJFWSA-N
MW364.48 g/mol
LogP4.20
Rot. Bonds5

About 5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole

5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole (PubChem CID 95125155) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is 5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole
PubChem CID95125155
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC Name5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole
SMILESCCn1ncnc1[C@@H](C)n1cnc(-c2ccccc2)c1-c1cnc(C)s1
InChIInChI=1S/C19H20N6S/c1-4-25-19(21-11-23-25)13(2)24-12-22-17(15-8-6-5-7-9-15)18(24)16-10-20-14(3)26-16/h5-13H,4H2,1-3H3/t13-/m1/s1
InChIKeyLSFUXYIEMQSNRK-CYBMUJFWSA-N
XLogP4.20
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine
CID 95136939
1-methyl-5-[(1S)-3-methyl-1-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]butyl]-1,2,4-triazole
CID 95121745
5-cyclopropyl-3-[[5-(2-methyl-1,3-thiazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 50977488
3-[[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole
CID 50948641
2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine
CID 50955325
1-ethyl-5-[5-phenyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]imidazol-4-yl]-1,2,4-triazole
CID 50951058
4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 158922920
3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 95149257
4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol
CID 95120357
3-[5-phenyl-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]imidazol-4-yl]benzonitrile
CID 95208800
3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol
CID 95121827
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95719174

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole (CID 95125155) is 5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole is CCn1ncnc1[C@@H](C)n1cnc(-c2ccccc2)c1-c1cnc(C)s1.
What is the InChIKey of 5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole?
The InChIKey is LSFUXYIEMQSNRK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N6S/c1-4-25-19(21-11-23-25)13(2)24-12-22-17(15-8-6-5-7-9-15)18(24)16-10-20-14(3)26-16/h5-13H,4H2,1-3H3/t13-/m1/s1.
What are the key properties of 5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole?
5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole has a molecular weight of 364.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 95125155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).